N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine

C15H20FNO2 — CID 112609785

IUPACN-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
SMILESFc1cccc(CNC2CC2)c1OC1CCOCC1
InChIInChI=1S/C15H20FNO2/c16-14-3-1-2-11(10-17-12-4-5-12)15(14)19-13-6-8-18-9-7-13/h1-3,12-13,17H,4-10H2
InChIKeyVZVBVFGHJQPZEC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.64
Rot. Bonds5

About N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine (PubChem CID 112609785) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
PubChem CID112609785
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
SMILESFc1cccc(CNC2CC2)c1OC1CCOCC1
InChIInChI=1S/C15H20FNO2/c16-14-3-1-2-11(10-17-12-4-5-12)15(14)19-13-6-8-18-9-7-13/h1-3,12-13,17H,4-10H2
InChIKeyVZVBVFGHJQPZEC-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 115955018
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134528
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine (CID 112609785) is N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine is Fc1cccc(CNC2CC2)c1OC1CCOCC1.
What is the InChIKey of N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine?
The InChIKey is VZVBVFGHJQPZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-14-3-1-2-11(10-17-12-4-5-12)15(14)19-13-6-8-18-9-7-13/h1-3,12-13,17H,4-10H2.
What are the key properties of N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine has a molecular weight of 265.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 112609785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).